| SpectraBase Compound ID | 2Uu4FhjtreJ |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-15(21(23)25-3)19(17-11-7-5-8-12-17)20(16(2)22(24)26-4)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3 |
| InChIKey | GLKVYHSVEWVASP-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9fcLNysXCH |
|---|---|
| Name | Dimethyl 2,5-dimethyl-3,4-diphenylhexanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-15(21(23)25-3)19(17-11-7-5-8-12-17)20(16(2)22(24)26-4)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3 |
| InChIKey | GLKVYHSVEWVASP-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(C(C(C(=O)OC)C)C1=CC=CC=C1)(C(C(=O)OC)C)C=1C=CC=CC1 |